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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
NASA NTRS1982

Finite element analysis of the effect of a non-planar solid-liquid interface on the lateral solute segregation during unidirectional solidification

The effect of solid-liquid interface shape on lateral solute segregation during steady-state unidirectional solidification of a binary mixture is calculated under the assumption of no convection in the liquid. A finite element technique is employed to compute the concentration field in the liquid and the lateral segregation in the solid with a curved boundary between the liquid and solid phases. The computational model is constructed assuming knowledge of the solid-liquid interface shape; no attempt is made to relate this shape to the thermal field. The influence of interface curvature on the lateral compositional variation is investigated over a range of system parameters including diffusivity, growth speed, distribution coefficient, and geometric factors of the system. In the limiting case of a slightly nonplanar interface, numerical results from the finite element technique are in good agreement with the analytical solutions of Coriell and Sekerka obtained by using linear theory. For the general case of highly non-planar interface shapes, the linear theory fails and the concentration field in the liquid as well as the lateral solute segregation in the solid can be calculated by using the finite element method.

Carlson, F. M.↗
DOE OSTI2023

Evaluation of Tungsten—Steel Solid-State Bonding: Options and the Role of CALPHAD to Screen Diffusion Bonding Interlayers

Critical aspects of innovative design in engineering disciplines like infrastructure, transportation, and medical applications require the joining of dissimilar materials. This study investigates the literature on solid-state bonding techniques, with a particular focus on diffusion bonding, as an effective method for establishing engineering bonds. Welding and brazing, while widely used, may pose challenges when joining materials with large differences in melting temperature and can lead to mechanical property degradation. In contrast, diffusion bonding offers a lower temperature process that relies on solid-state interactions to develop bond strength. The joining of tungsten and steel, especially for fusion reactors, presents a unique challenge due to the significant disparity in melting temperatures and the propensity to form brittle intermetallics. Here, diffusion characteristics of tungsten–steel interfaces are examined and the influence of bonding parameters on mechanical properties are investigated. Additionally, CALPHAD modeling is employed to explore joining parameters, thermal stability, and diffusion kinetics. The insights from this research can be extended to join numerous dissimilar materials for specific applications such as aerospace, automobile industry, power plants, etc., enabling advanced and robust design with high efficiency.

36 MATERIALS SCIENCE↗
NASA NTRS2018

Improved Pyrotechnic Shock Scaling Method Based on Shock Response Spectrum and Statistical Energy Analysis

It has been more than forty years since the pyrotechnic shock scaling method was introduced. The scaling method estimates the attenuation of the Shock Response Spectrum (SRS) based on the distance from the source, structural configurations, types of structural joints and interfaces, and intervening structure [1]. The method has been successfully used in the spacecraft community countless times and still is frequently used to develop pyrotechnic shock requirements at various levels of assembly of a spacecraft. However, since the method was derived empirically from a limited set of shock test data [2], the aerospace community has been looking for an alternative approach. In this paper, a computational scaling method based on Statistical Energy Analysis (SEA) is re-visited. SEA is traditionally used as a method for investigating the diffusion of acoustic and vibratory energies of a system at steady-state [3]. Previously, an approach using the SRS as an acceleration constraint condition to the SEA model was introduced to estimate the attenuation from a shock source [4,5]. In the current investigation, additional examples are provided to further validate the approach. In addition, responses in the time domain are produced by the Local Modal Phase Reconstruction (LMPR) approach which was recently introduced to the community [6].

Fernandez, Juan P.↗
DOE OSTI2021

Application of Dislocation Theory to Minimize Defects in Artificial Solids Built with Nanocrystal Building Blocks

Conspectus. Oriented atomic attachment of colloidal inorganic nanocrystals represents a powerful synthetic method for preparing complex inorganic superstructures. Examples include fusion of nanocrystals into dimer and superlattice structures. If the attachment were perfect throughout, then the resulting materials would have single crystal-like alignment of the individual nanocrystals' atomic lattices. While individual colloidal nanocrystals typically are free of many defects, there are a multitude of pathways that can generate defects upon nanocrystal attachment. These attachment generated defects are typically undesirable, and thus developing strategies to favor defect-free attachment or heal defective interfaces are essential. There may also be some cases where attachment-derived defects are desirable. In this Account, we summarize our current understanding of how these defects arise, in order to offer guidance to those who are designing nanocrystal derived solids. The small size of inorganic nanocrystals means short diffusion lengths to the surface, which favor the formation of nanocrystal building blocks with pristine atomic structures. Upon attachment, however, there are numerous pathways that can lead to atomic scale defects, and bulk crystal dislocation theory provides an invaluable guide to understanding these phenomena. As an example, an atomic step edge can be incorporated into the interface leading to an extra half-plane of atoms, known as an edge dislocation. These dislocations can be well described by the Burgers vector description of dislocations, which geometrically identifies planes in which a dislocation can move. Our in situ measurements have verified that bulk dislocation theory predictions for 1D defects hold true at few-nanometer length scales in PbTe and CdSe nanocrystal interfaces. Ultimately, the applicability of dislocation theory to nanocrystal attachment enables the predictive design of attachment to prevent or facilitate healing of defects upon nanocrystal attachment. We applied similar logic to understand formation of planar (2D) defects such as stacking faults upon nanocrystal attachment. Again concepts from bulk crystal defect crystallography can identify attachment pathways that can prevent or deterministically form planar defects upon nanocrystal attachment. The concepts we discuss work well for identifying favorable attachment geometries for nanocrystal pairs ; however it is currently unclear how to translate these ideas to near-simultaneous multiparticle attachment. Geometric frustration, which prevents nanocrystal rotation, and yet-to-be considered defect generation pathways unique to multiparticle attachment complicate defect-free superlattice attachment. New imaging methods now allow for the direct observation of local attachment trajectories and may enable improved understanding of such multiparticle phenomena. With further refinement, a unified framework for understanding and ultimately eliminating structural defects in fused nanocrystal superstructures may well be achievable in coming years.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Space-Time Block Preconditioning for Incompressible Flow

Parallel-in-time methods have become increasingly popular in the simulation of time-dependent numerical PDEs, allowing for the efficient use of additional message passing interface processes when spatial parallelism saturates. Most methods treat the solution and parallelism in space and time separately. In contrast, all-at-once methods solve the full space-time system directly, largely treating time as simply another spatial dimension. All-at-once methods offer a number of benefits over separate treatment of space and time, most notably significantly increased parallelism and faster time to solution (when applicable). However, the development of fast, scalable all-at-once methods has largely been limited to time-dependent (advection-)diffusion problems. This paper introduces the concept of space-time block preconditioning for the all-at-once solution of incompressible flow. By extending well-known concepts of spatial block preconditioning to the space-time setting, we develop a block preconditioner whose application requires the solution of a space-time (advection-)diffusion equation in the velocity block, coupled with a pressure Schur complement approximation consisting of independent spatial solves at each time-step, and a space-time matrix-vector multiplication. The new method is tested on four classical models in incompressible flow. Finally, the results indicate perfect scalability in refinement of spatial and temporal mesh spacing, perfect scalability in nonlinear Picard iteration count when applied to a nonlinear Navier--Stokes problem, and minimal overhead in terms of number of preconditioner applications compared with sequential time-stepping.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1994

Axial and centrifugal pump meanline performance analysis

A meanline pump flow modeling method has been developed to provide a fast capability for modeling pumps of cryogenic rocket engines. Based on this method, a meanline pump flow code (PUMPA) has been written that can predict the performance of pumps at off-design operating conditions, given the loss of the diffusion system at the design point. The design point rotor efficiency is obtained from empirically derived correlations of loss to rotor specific speed. The rapid input setup and computer run time for the meanline pump flow code makes it an effective analysis and conceptual design tool. The map generation capabilities of the PUMPA code provide the information needed for interfacing with a rocket engine system modeling code.

Veres, Joseph P.↗
NASA NTRS2006

Semi-Analytic Reconstruction of Flux in Finite Volume Formulations

Semi-analytic reconstruction uses the analytic solution to a second-order, steady, ordinary differential equation (ODE) to simultaneously evaluate the convective and diffusive flux at all interfaces of a finite volume formulation. The second-order ODE is itself a linearized approximation to the governing first- and second- order partial differential equation conservation laws. Thus, semi-analytic reconstruction defines a family of formulations for finite volume interface fluxes using analytic solutions to approximating equations. Limiters are not applied in a conventional sense; rather, diffusivity is adjusted in the vicinity of changes in sign of eigenvalues in order to achieve a sufficiently small cell Reynolds number in the analytic formulation across critical points. Several approaches for application of semi-analytic reconstruction for the solution of one-dimensional scalar equations are introduced. Results are compared with exact analytic solutions to Burger s Equation as well as a conventional, upwind discretization using Roe s method. One approach, the end-point wave speed (EPWS) approximation, is further developed for more complex applications. One-dimensional vector equations are tested on a quasi one-dimensional nozzle application. The EPWS algorithm has a more compact difference stencil than Roe s algorithm but reconstruction time is approximately a factor of four larger than for Roe. Though both are second-order accurate schemes, Roe s method approaches a grid converged solution with fewer grid points. Reconstruction of flux in the context of multi-dimensional, vector conservation laws including effects of thermochemical nonequilibrium in the Navier-Stokes equations is developed.

Gnoffo, Peter A.↗
NASA NTRS1981

Diagnostic study of BSF silicon solar cells

Solar cells equipped with back surface fields (BSF) were fabricated by means of an aluminum alloy, boron diffusion, and boron ion implantation. The importance of initial thickness, resistivity, orientation, and the crystal growth method were examined. Aluminum in paste form was screen printed on the cell, followed by alloy formation at 800 C for a minute. Application of the BSFs resulted in open circuit voltage improvements dependent on the substrate resistivity, ranging from 10 mV at 0.3 ohm-cm to 50 mV at 15 ohm-cm. The gains in performance were attributed to a longer penetration depth, a heightened concentration profile at the interface, and higher concentrations in the p+ layer.

Yoo, H.↗
NASA NTRS1999

A Gas-Kinetic Method for Hyperbolic-Elliptic Equations and Its Application in Two-Phase Fluid Flow

A gas-kinetic method for the hyperbolic-elliptic equations is presented in this paper. In the mixed type system, the co-existence and the phase transition between liquid and gas are described by the van der Waals-type equation of state (EOS). Due to the unstable mechanism for a fluid in the elliptic region, interface between the liquid and gas can be kept sharp through the condensation and evaporation process to remove the "averaged" numerical fluid away from the elliptic region, and the interface thickness depends on the numerical diffusion and stiffness of the phase change. A few examples are presented in this paper for both phase transition and multifluid interface problems.

Xu, Kun↗
NASA NTRS1976

Diffusion analysis for two-phase metal-matrix composite

Diffusion controlled filament matrix interaction in a metal matrix composite, where the filaments and matrix comprise a two phase binary alloy system, was mathematically modeled. The problem of a diffusion controlled, two phase moving interface by means of a one dimensional, variable grid, finite difference technique was analyzed. Concentration dependent diffusion coefficients and equilibrium solubility limits were used, and the change in filament diameter and compositional changes in the matrix were calculated as a function of exposure time at elevated temperatures. With the tungsten nickel (W-Ni) system as a model composite system, unidirectional composites containing from 0.06 to 0.44 initial filament volume fraction were modeled. Compositional changes in the matrix were calculated by superposition of the contributions from neighboring filaments. Alternate methods for determining compositional changes between first and second nearest neighbor filaments were also considered. The results show the relative importance of filament volume fraction, filament diameter, exposure temperature, and exposure time as they affect the rate and extent of filament matrix interaction.

Tenney, D. R.↗
NASA NTRS2000

Mean Line Pump Flow Model in Rocket Engine System Simulation

A mean line pump flow modeling method has been developed to provide a fast capability for modeling turbopumps of rocket engines. Based on this method, a mean line pump flow code PUMPA has been written that can predict the performance of pumps at off-design operating conditions, given the loss of the diffusion system at the design point. The pump code can model axial flow inducers, mixed-flow and centrifugal pumps. The code can model multistage pumps in series. The code features rapid input setup and computer run time, and is an effective analysis and conceptual design tool. The map generation capability of the code provides the map information needed for interfacing with a rocket engine system modeling code. The off-design and multistage modeling capabilities of the code permit parametric design space exploration of candidate pump configurations and provide pump performance data for engine system evaluation. The PUMPA code has been integrated with the Numerical Propulsion System Simulation (NPSS) code and an expander rocket engine system has been simulated. The mean line pump flow code runs as an integral part of the NPSS rocket engine system simulation and provides key pump performance information directly to the system model at all operating conditions.

Veres, Joseph P.↗
DOE OSTI2023

Differential multi-probe thermal transport measurements of multi-walled carbon nanotubes grown by chemical vapor deposition

Carbon nanotubes (CNTs) are quasi-one dimensional nanostructures that display both high thermal conductivity for potential thermal management applications and intriguing low-dimensional phonon transport phenomena. In comparison to the advances made in the theoretical calculation of the lattice thermal conductivity of CNTs, thermal transport measurements of CNTs have been limited by either the poor temperature sensitivity of Raman thermometry technique or the presence of contact thermal resistance errors in sensitive two-probe resistance thermometry measurements. Here we report advances in a multi-probe measurement of the intrinsic thermal conductivity of individual multi-walled CNT samples that are transferred from the growth substrate onto the measurement device. The sample-thermometer thermal interface resistance is directly measured by this multi-probe method and used to model the temperature distribution along the contacted sample segment. The detailed temperature profile helps to eliminate the contact thermal resistance error in the obtained thermal conductivity of the suspended sample segment. A differential electro-thermal bridge measurement method is established to enhance the signal-to-noise ratio and reduce the measurement uncertainty by over 40%. The obtained thermal resistances of multiple suspended segments of the same MWCNT samples increase nearly linearly with increasing length, revealing diffusive phonon transport as a result of phonon-defect scattering in these MWCNT samples. The measured thermal conductivity increases with temperature and reaches up to 390 ± 20 W m –1 K –1 at room temperature for a 9-walled MWCNT. In conclusion, theoretical analysis of the measurement results suggests submicron phonon mean free paths due to extrinsic phonon scattering by extended defects such as grain boundaries. The obtained thermal conductivity is decreased by a factor of 3 upon electron beam damage and surface contamination of the CNT sample.

42 ENGINEERING↗
NASA NTRS1987

Convection and segregation in directional solidification of dilute and non-dilute binary alloys - Effects of ampoule and furnace design

A Petrov-Galerkin/finite-element method is used to analyze the effect of furnace configuration and ampoule design on the temperature field, the convection in the melt, the shape of the melt-solid interface, and the segregation of solute in the crystal, in the directional solidification of several dilute and nondilute binary semiconductor alloys. The vertical Bridgman-Stockbarger system leads to a two-cell flow structure, and the constant gradient furnace has only a single cell near the interface. Radial temperature gradients interact with the solute field to cause the previously predicted sideways diffusive instability, and addition of a solute that is less dense than the bulk melt and that is incorporated upon solidification decreases the intensity of the flow near the interface by increasing the melt density there. The present results have application to understanding of the effects on solute segregation of microgavity solidification and of applied magnetic fields.

Adornato, Peter M.↗
NASA NTRS1996

The study of flow pattern and phase-change problem in die casting process

The flow pattern and solidification phenomena in die casting process have been investigated in the first phase study. The flow pattern in filling process is predicted by using a VOF (volume of fluid) method. A good agreement with experimental observation is obtained for filling the water into a die cavity with different gate geometry and with an obstacle in the cavity. An enthalpy method has been applied to solve the solidification problem. By treating the latent heat implicitly into the enthalpy instead of explicitly into the source term, the CPU time can be reduced at least 20 times. The effect of material properties on solidification fronts is tested. It concludes that the dependence of properties on temperature is significant. The influence of the natural convection over the diffusion has also been studied. The result shows that the liquid metal solidification phenomena is diffusion dominant, and the natural convection can affect the shape of the interface. In the second phase study, the filling and solidification processes will be considered simultaneously.

Wang, T. S.↗
NASA NTRS1998

The Effects of Ground and Space Processing on the Properties of Organic, Polymeric, and Colloidal Materials

In recent years, a great deal of interest has been directed toward the use of organic materials in the development of high-efficiency optoelectronic and phototonic devices. There is a myriad of possibilities among organic materials which allow flexibility in the design of unique structures with a variety of functional groups. The use of nonlinear optical (NLO) organic materials as thin film wave-guides allows full exploitation of their desirable qualifies by permitting long interaction lengths and large susceptibilities allowing modest power input. There are several methods in use to prepare thin films such as Langmuir-Blodgett (LB) and self-assembly techniques, vapor deposition, growth from sheared solution or melt, and melt growth between glass plates. Organic-based materials have many features that make them desirable for use in optical devices, such as high second-and third-order nonlinearity, flexibility of molecular design, and damage resistance to optical radiation. However, their use in devices has been hindered by processing difficulties for crystals and thin films. We discuss the potential role of microgravity processing of a few organic and polymeric materials. It is of interest to note how materials with second-and third-order NLO behavior may be improved in a diffusion-limited environment and ways in which convection may be detrimental to these materials. We focus our discussion on third-order materials for all-optical switching, and second-order materials for frequency conversion and electrooptics. The goal of minimizing optical loss obviously depends on processing methods. For solution-based processes, such as solution crystal growth and solution photopolymerization, it is well known that thermal and solutal density gradients can initiate buoyancy-driven convection. Resultant fluid flows can affect transport of material to and from growth interfaces and become manifest in the morphology and homogeneity of the growing film or crystal. Likewise, buoyancy-driven convection can hinder production of defect-free, high-quality crystals or films during crystal and film growth by vapor deposition.

Frazier, Donald O.↗
NASA NTRS2007

Increasing Durability of Flame-Sprayed Strain Gauges

Thermally sprayed dielectric ceramic coatings are the primary means of attaching strain and temperature gauges to hot-section rotating parts of turbine engines. As hot-section temperatures increase, lifetimes of installed gauges decrease, and seldom exceed one hour above 2,000 F (approx.1,100 C). Advanced engine components are expected to operate at temperatures approaching 2,200 F (approx.1,200 C), and the required high-temperature lifetime is 10 hours minimum. Typically, to enable a ceramic coating to adhere to the smooth surface of an engine component, a thermally sprayed NiCrAlY or NiCoCrAlY bond coat is applied to the smooth surface, thereby providing a textured surface to which the ceramic coat can adhere. The main failure mechanism of this system is decohesion and/or delamination at the interface between the ceramic top coat and the bond coat, caused by oxidation of the bond coat and stresses from the mismatch between the coefficients of thermal expansion of the ceramic top coat and the metallic bond coat. The approach taken to increase the high-temperature lifetime of a gauge attached to an engine component by the method described above involves (1) selective oxidation of the bond coat by means of a heat treatment in reduced oxygen partial pressure followed by (2) the application of a noble-metal diffusion barrier. In experiments to test this approach, heat treatments of NiCoCrAlY bond coats were carried out in a tube furnace in which, in each case, the temperature was alternately (1) increased at a rate of 3 C per minute and (2) held steady for one hour until the desired temperature was reached. The tube furnace was continuously purged with dry nitrogen gas. A final heat-treatment temperature range of 1,600 to 1,800 F (871 to 982 C) proved most beneficial.

Gregory, Otto J.↗
NASA NTRS1978

Cooling rates of group IVA iron meteorites

Cooling rates of six group IVA iron meteorites were estimated by a taenite central Ni concentration-taenite half-width method. Calculated cooling rates range from 13 to 25 C/Myr, with an average of 20 C/Myr. No correlation between cooling rate and bulk Ni content is observed, and the data appear to be consistent with a uniform cooling rate as expected from an igneous core origin. This result differs from previous studies reporting a wide range in cooling rates that were strongly correlated with bulk Ni content. The differences result mainly from differences in the phase diagram and the selected diffusion coefficients. Cooling rates inferred from taenite Ni concentrations at the interface with kamacite are consistent with those based on taenite central Ni content.

Willis, J.↗
DOE OSTI2022

Creating Functional Oxynitride–Silicon Interfaces and SrNbO 2 N Thin Films for Photoelectrochemical Applications

Photoelectrochemical performance dependence upon absorption length, carrier diffusion length, and surface area of an oxynitride photoabsorber is investigated. How best to fabricate optical-quality thin films of bandgap-tunable oxynitrides is also discussed. We targeted the stoichiometric compound SrNbO 2 N as an optimal wide-bandgap photoabsorber (1.9 eV) for use with silicon (1.1 eV) in a tandem structure photoelectrochemical cell. Preparation of perovskite oxynitrides at high-temperature as isolated powders is often straightforward, but it is difficult to integrate them as thin films in tandem junction devices with low-temperature materials. Here we develop the first method to prepare optical-quality SrNbO 2 N thin-films of tunable thickness and roughness on single-crystal silicon substrate. This achievement required an interfacial layer of ultra-thin TaN to be used as a barrier to reduce the inter-diffusion of silicon and oxygen during oxynitride syn-thesis. We produced a variety of SrNbO 2 N film thicknesses (20-440 nm) on n + -Si(100) surfaces. Roughness factor (0.14-21) scaled with thickness. The intrinsic photoelectrochemical activity of these devices was evaluated using a low-barrier sacrificial electron donor. Photocurrent density and photovoltage revealed a significant (and non-linear) dependence on film thickness and roughness. Furthermore, absorption length, carrier diffusion length, and surface area were each found to play key roles. Balancing these is required for optimally performing devices.

08 HYDROGEN↗